Pagoclone

HCID 131664

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 133737-32-3
標準SMILES: CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIKey: HIUPRQPBWVEQJJ-UHFFFAOYSA-N
分子式: C23H22ClN3O2
平均分子量: 407.9 g/mol
単同位体質量: 407.1400546

名称と識別子

優先名称: Pagoclone
IUPAC: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one
英語名: Pagoclone
分子式: C23H22ClN3O2
分子量: 407.89

名称と別名

Pagoclone133737-32-3IP 456PagoclonaRP 62955RP-62955IP-456CI-10432-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydro-1H-isoindol-1-one38VAG2SA33DTXSID40869830IP456

名称をさらに表示

Pagoclone Labeled d42-(7-Chloro-2-naphthyridin-1,8-yl)-3-(5-methyl-2-oxohexyl)isoindolin-1-one2-(7-chloro-1,8-naphthyridine-2-yl)-3-(5-methyl-2-oxo-hexyl)-1-isoindolinone1H-Isoindol-1-one, 2-(7-chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-

RP62955pagoclonumRefChem:858293DTXCID908177402-(7-chloro-1.8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-1H-isoindol-1-one133737-48-1rac-Pagoclone2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)isoindolin-1-one

データベース識別子

CAS: 133737-32-3、133737-48-1
PubChem CID: 131664
DTXSID: DTXSID40869830
ChEMBL: CHEMBL2104745
Nikkaji: J481.630G

物性

構造計算による物性

XLogP: 4.6
極性表面積: 63.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 29
形式電荷: 0
複雑度: 613

物理化学的性質

融点: 173 · 173-179°C
貯蔵温度: -20 °C · -20°C Freezer
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
色: 淡いオレンジから淡い赤

化学と産業

薬理情報

Pharmacodynamics · 1 件

Pagoclone was originally developed as an anti-anxiety drug, but never commercialised. It is a partial agonist acting at GABAA receptors in the brain. In contrast to zopiclone, pagoclone produces anxiolytic effects with little or no sedative or amnestic actions at low doses.

Mechanism of Action · 1 件

Pagoclone is a subtype-selective drug which binds primarily to the alpha2/alpha3 subtypes of the GABAA receptor which are responsible for the anti-anxiety effects of these kind of drugs, but has relatively little efficacy at the alpha1 subtype which produces the sedative and memory loss effects.